(2S)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one

Systemtic Name: (2S)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Openeye Name: (2S)-1-[(2R)-2-ethyl-1-piperidyl]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one CAS Name: (2S)-1-[(2R)-2-ethyl-1-piperidinyl]-2-methyl-3-(1-piperazin-4-iumylsulfonyl)-1-propanone IUPAC Name: (2S)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropan-1-one Traditional Name: (2S)-1-[(2R)-2-ethylpiperidino]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Formula: C15H30N3O3S+ MolecularWeight: 332.482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)CS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC[C@@H]1CCCCN1C(=O)[C@H](C)CS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C15H29N3O3S/c1-3-14-6-4-5-9-18(14)15(19)13(2)12-22(20,21)17-10-7-16-8-11-17/h13-14,16H,3-12H2,1-2H3/p+1/t13-,14-/m1/s1